SCHEMBL11947809

SCHEMBL11947809

CC(C)(C)N1CCC2(CCN(c3ccccn3)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 15/20 0.64
▸ ALDH1A1 P00352 14/20 0.64
▸ HPGD P15428 9/20 0.64
▸ SMN1; SMN2 Q16637 9/20 0.64
▸ TSHR P16473 7/20 0.64
▸ CYP2D6 P10635 6/20 0.64
▸ CYP2C19 P33261 6/20 0.64
▸ CYP3A4 P08684 6/20 0.64
▸ CYP2C9 P11712 6/20 0.64
▸ MAPK1 P28482 6/20 0.64
▸ USP2 O75604 4/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ CYP1A2 P05177 5/20 0.62
▸ HIF1A Q16665 1/20 0.50
▸ PLD1 Q13393 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11947826 0.91 HSD17B10 (0.57) HSD17B10ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL136881 0.85 PLD1 (0.56) HSD17B10ALDH1A1SMN1; SMN2PLD1
SCHEMBL14996516 0.83 HSD17B10 (0.69) HSD17B10ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL13168323 0.82 HSD17B10 (0.53) HSD17B10ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL16587650 0.80 KDM4E (0.50) HSD17B10ALDH1A1SMN1; SMN2PLD1
SCHEMBL17516289 0.80 ALDH1A1 (0.58) HSD17B10ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL11947801 0.79 CYP3A4 (0.44) HSD17B10ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL11956077 0.79 HSD17B10 (0.64) HSD17B10ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL13050537 0.78 HSD17B10 (1.00) HSD17B10ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL30641561 0.77 HSD17B10 (0.61) HSD17B10ALDH1A1HPGDSMN1; SMN2TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 — — US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 — — US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 — — US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 — — US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN HSD17B10 4072/4885ALDH1A1 2086/4885HPGD 386/4885
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 HSD17B10 3943/4885ALDH1A1 1533/4885HPGD 1251/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HSD17B10 4072/4885ALDH1A1 2086/4885HPGD 386/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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